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Despite the odds: On the formation of a SARS-COV2 Methylation Complex: academic.oup.com/nar/article/52…
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Popowicz Lab retweeted
📢 New today! @PopowiczLab, @t7morgen7, @FilipeMMenezes and colleagues introduce MISATO, a database for structure-based drug discovery. @helmholtz_ai, @Sattler_lab, @HelmholtzMunich nature.com/articles/s4358…
Popowicz Lab retweeted
@PopowiczLab @t7morgen7 @FilipeMMenezes @helmholtz_ai @Sattler_lab @HelmholtzMunich An accompanying News & Views manuscript by @ForliLab for this paper is now available! nature.com/articles/s4358… 👉rdcu.be/dHU69
Popowicz Lab retweeted
Very excited that MISATO is now published in Nature Computational Science. Check out the dataset to train the next generation of ML models for structure based drug discovery. All data and baseline models are freely available. nature.com/articles/s4358…
How about some changes in scaffold? sciencedirect.com/science/articl…
Popowicz Lab retweeted
The last of its trilogy: pubs.rsc.org/en/content/art… Dimer vs. Adduct? Who wins? via #Befunky befunky.com/a/AZr6tcF-1693…
Time flew by with Radek and Ola in the lab. It was wonderful having you guys with us!
Popowicz Lab retweeted
Next Thursday (22.06) me and @t7morgen7 will give a talk on the MISATO DB. Don't miss! Where: videoconf-colibri.zoom.us/j/94017822976?… When: 11:30 a.m. CET Thank Computational Biochemistry Group from Univ. Porto
With our new Energy Decomposition Analysis, we created a quantum mechanical binding selectivity model for the difficult to target PEX14-PEX5 interface! Quantum mechanical calculations for improved drug discovery applications. biorxiv.org/content/10.110…
Artificial Intelligence is in urgent need of more refined datasets for drug discovery applications! Here is our contribution, the MISATO dataset: biorxiv.org/content/10.110…
Popowicz Lab retweeted
Our pre-print for the MISATO database, for ML applications is now out! biorxiv.org/content/10.110…
Popowicz Lab retweeted
Fresh out of the publication oven: the first application of our own energy decomposition analysis. pubs.acs.org/doi/pdf/10.102…
Structure-based design, synthesis and evaluation of a novel family of ... sciencedirect.com/science/articl… Congrats to the whole team
nature.com/articles/s4159… Congrats on this publication on small molecule inhibitors to PEX5
Filipe and Till representing the group at EuChemS22. No better way to start than by a plenary talk by Dame Carol Robinson on Structural Biology
Popowicz Lab retweeted
A study on the hydrolysis reaction of NO2. It is surprising how little we know about this system. …mistry-europe.onlinelibrary.wiley.com/doi/full/10.10…
Popowicz Lab retweeted
We just got our semi-empirical package published in JCIM. pubs.acs.org/doi/abs/10.102… Soon, a few algorithms dedicated to drug design. #ULYSSES
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